Saturday, February 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: sodium sulfidosulfonylmethane
CAS Name: sodium sulfidosulfonylmethane
IUPAC NAME: sodium sulfidosulfonylmethane
SYSTEMATIC NAME: sodium sulfanidylsulfonylmethane
MOLECULAR FORMULA: CH3NaO2S2
MOLECULAR WEIGHT: 134.15309
SMILES: CS(=O)(=O)[S-].[Na+]
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Product OPENEYE NAME: 4-(sulfanylmethyl)pyrrolidine-3-carboxylic acid
CAS Name: 4-(mercaptomethyl)-3-pyrrolidinecarboxylic acid
IUPAC NAME: 4-(sulfanylmethyl)pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 4-(sulfanylmethyl)pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C6H11NO2S
MOLECULAR WEIGHT: 161.22204
SMILES: C1C(C(CN1)C(=O)O)CS
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Product OPENEYE NAME: 6-[3-(4-nitrophenyl)prop-2-enoyl]-2-[[2-(trifluoromethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CAS Name: 6-[3-(4-nitrophenyl)-1-oxoprop-2-enyl]-2-[[2-(trifluoromethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
IUPAC NAME: 6-[3-(4-nitrophenyl)prop-2-enoyl]-2-[[2-(trifluoromethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 6-[3-(4-nitrophenyl)prop-2-enoyl]-2-[[2-(trifluoromethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C24H19F3N4O4
MOLECULAR WEIGHT: 484.42727
SMILES: C1CN(CC2=C1NC(=NC2=O)CC3=CC=CC=C3C(F)(F)F)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CAS Name: N-(2,6-dimethylphenyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
IUPAC NAME: N-(2,6-dimethylphenyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
MOLECULAR FORMULA: C22H22FN3O
MOLECULAR WEIGHT: 363.427983
SMILES: CC1=C(C(=CC=C1)C)NC(=O)N2CCN3C=CC=C3C2C4=CC(=CC=C4)F
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Product OPENEYE NAME: N-[3-[[4-(diethylamino)-1-methyl-butyl]amino]-3-oxo-propyl]-5-methyl-N-(2-phenylethyl)pyrazine-2-carboxamide
CAS Name: N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-5-methyl-N-(2-phenylethyl)-2-pyrazinecarboxamide
IUPAC NAME: N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-5-methyl-N-(2-phenylethyl)pyrazine-2-carboxamide
SYSTEMATIC NAME: N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxidanylidene-propyl]-5-methyl-N-(2-phenylethyl)pyrazine-2-carboxamide
MOLECULAR FORMULA: C26H39N5O2
MOLECULAR WEIGHT: 453.62016
SMILES: CCN(CC)CCCC(C)NC(=O)CCN(CCC1=CC=CC=C1)C(=O)C2=CN=C(C=N2)C
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Product OPENEYE NAME: N-[3-[(1-benzyl-4-piperidyl)amino]-3-oxo-propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CAS Name: N-[3-oxo-3-[[1-(phenylmethyl)-4-piperidinyl]amino]propyl]-N-(2-phenylethyl)-2-pyrazinecarboxamide
IUPAC NAME: N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SYSTEMATIC NAME: N-[3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
MOLECULAR FORMULA: C28H33N5O2
MOLECULAR WEIGHT: 471.59392
SMILES: C1CN(CCC1NC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: N-tert-butyl-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide
CAS Name: N-tert-butyl-3-(6-chloro-3-imidazo[1,2-a]pyridinyl)-3-(2-methoxyphenyl)propanamide
IUPAC NAME: N-tert-butyl-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide
SYSTEMATIC NAME: N-tert-butyl-3-(6-chloranylimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide
MOLECULAR FORMULA: C21H24ClN3O2
MOLECULAR WEIGHT: 385.88716
SMILES: CC(C)(C)NC(=O)CC(C1=CC=CC=C1OC)C2=CN=C3N2C=C(C=C3)Cl
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Product OPENEYE NAME: methyl 4-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]benzoate
CAS Name: 4-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-5-thiazolidinylidene]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[3-[(2-nitrophenyl)methyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]benzoate
MOLECULAR FORMULA: C19H14N2O6S
MOLECULAR WEIGHT: 398.38926
SMILES: COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-]
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Product OPENEYE NAME: 3-[(2-fluorophenyl)methyl]-5-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]thiazolidine-2,4-dione
CAS Name: 3-[(2-fluorophenyl)methyl]-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]thiazolidine-2,4-dione
IUPAC NAME: 3-[(2-fluorophenyl)methyl]-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 3-[(2-fluorophenyl)methyl]-5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C21H15FINO4S
MOLECULAR WEIGHT: 523.315973
SMILES: COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3F)I)OCC#C
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Product OPENEYE NAME: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-(diethylsulfamoyl)benzoate
CAS Name: 4-(diethylsulfamoyl)benzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester
IUPAC NAME: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-(diethylsulfamoyl)benzoate
SYSTEMATIC NAME: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-(diethylsulfamoyl)benzoate
MOLECULAR FORMULA: C27H26N4O6S2
MOLECULAR WEIGHT: 566.64854
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]
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Product OPENEYE NAME: 2-amino-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Name: 2-amino-4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
IUPAC NAME: 2-amino-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
MOLECULAR FORMULA: C27H25N5O
MOLECULAR WEIGHT: 435.5203
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=CC=C5)N)C#N
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Product OPENEYE NAME: 2-[1-(2,4-dimethylphenyl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
CAS Name: 2-[[1-(2,4-dimethylphenyl)ethylamino]-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
IUPAC NAME: 2-[1-(2,4-dimethylphenyl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
SYSTEMATIC NAME: 2-[1-(2,4-dimethylphenyl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
MOLECULAR FORMULA: C18H23NO4
MOLECULAR WEIGHT: 317.37952
SMILES: CC1=CC(=C(C=C1)C(C)NC(=O)C2C3CCC(C2C(=O)O)O3)C
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Product OPENEYE NAME: methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylate
CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C22H20N2O7S
MOLECULAR WEIGHT: 456.4684
SMILES: CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(4-chloro-2-methyl-phenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[1-[(2-chlorophenyl)methyl]-3-pyrazolyl]propanamide
IUPAC NAME: 2-(4-chloro-2-methylphenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
SYSTEMATIC NAME: 2-(4-chloranyl-2-methyl-phenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
MOLECULAR FORMULA: C20H19Cl2N3O2
MOLECULAR WEIGHT: 404.28976
SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=NN(C=C2)CC3=CC=CC=C3Cl
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Product OPENEYE NAME: N-(5-bromo-2-pyridyl)-2,7,7-trimethyl-5-oxo-4-(2-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
CAS Name: N-(5-bromo-2-pyridinyl)-2,7,7-trimethyl-5-oxo-4-(2-pyridinyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
IUPAC NAME: N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
SYSTEMATIC NAME: N-(5-bromanylpyridin-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
MOLECULAR FORMULA: C23H23BrN4O2
MOLECULAR WEIGHT: 467.35832
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=N3)C(=O)NC4=NC=C(C=C4)Br
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Product OPENEYE NAME: N-[(2-morpholino-5-morpholinosulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide
CAS Name: N-[[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide
IUPAC NAME: N-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)carbamothioyl]adamantane-1-carboxamide
SYSTEMATIC NAME: N-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide
MOLECULAR FORMULA: C26H36N4O5S2
MOLECULAR WEIGHT: 548.71784
SMILES: C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(2-chlorophenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C24H19ClN4O3S
MOLECULAR WEIGHT: 478.95066
SMILES: C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC=CC=C5Cl
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Product OPENEYE NAME: N-[2-[2-[(2,4-dichlorophenyl)methylene]hydrazino]-2-oxo-ethyl]-3-methyl-benzamide
CAS Name: N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
IUPAC NAME: N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
SYSTEMATIC NAME: N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]-3-methyl-benzamide
MOLECULAR FORMULA: C17H15Cl2N3O2
MOLECULAR WEIGHT: 364.2259
SMILES: CC1=CC=CC(=C1)C(=O)NCC(=O)NN=CC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: chloro-methyl-phenyl-phosphane
CAS Name: chloro-methyl-phenylphosphine
IUPAC NAME: chloro-methyl-phenylphosphane
SYSTEMATIC NAME: chloranyl-methyl-phenyl-phosphane
MOLECULAR FORMULA: C7H8ClP
MOLECULAR WEIGHT: 158.565181
SMILES: CP(C1=CC=CC=C1)Cl
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Product OPENEYE NAME: 2-methylpentylboronic acid
CAS Name: 2-methylpentylboronic acid
IUPAC NAME: 2-methylpentylboronic acid
SYSTEMATIC NAME: 2-methylpentylboronic acid
MOLECULAR FORMULA: C6H15BO2
MOLECULAR WEIGHT: 129.9931
SMILES: B(CC(C)CCC)(O)O
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Product OPENEYE NAME: chloro(bis-p-tolyl)phosphane
CAS Name: chloro-bis(4-methylphenyl)phosphine
IUPAC NAME: chloro-bis(4-methylphenyl)phosphane
SYSTEMATIC NAME: chloranyl-bis(4-methylphenyl)phosphane
MOLECULAR FORMULA: C14H14ClP
MOLECULAR WEIGHT: 248.687721
SMILES: CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)Cl
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Product OPENEYE NAME: (6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)-diphenyl-phosphane
CAS Name: (6-diphenylphosphino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)-diphenylphosphine
IUPAC NAME: (6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)-diphenylphosphane
SYSTEMATIC NAME: (6-diphenylphosphanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)-diphenyl-phosphane
MOLECULAR FORMULA: C30H28O2P2
MOLECULAR WEIGHT: 482.489642
SMILES: C1C(C2C(O1)C(CO2)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6
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